N-(2,6-dichlorophenyl)-2-(diethylamino)pyrimidine-4-carboxamide

C15H16Cl2N4O — CID 109310804

IUPACN-(2,6-dichlorophenyl)-2-(diethylamino)pyrimidine-4-carboxamide
SMILESCCN(CC)c1nccc(C(=O)Nc2c(Cl)cccc2Cl)n1
InChIInChI=1S/C15H16Cl2N4O/c1-3-21(4-2)15-18-9-8-12(19-15)14(22)20-13-10(16)6-5-7-11(13)17/h5-9H,3-4H2,1-2H3,(H,20,22)
InChIKeyNPISQEBMDXMDPF-UHFFFAOYSA-N
MW339.23 g/mol
LogP3.88
Rot. Bonds5

About N-(2,6-dichlorophenyl)-2-(diethylamino)pyrimidine-4-carboxamide

N-(2,6-dichlorophenyl)-2-(diethylamino)pyrimidine-4-carboxamide (PubChem CID 109310804) has the molecular formula C15H16Cl2N4O and a molecular weight of 339.23 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-2-(diethylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-2-(diethylamino)pyrimidine-4-carboxamide
PubChem CID109310804
Molecular FormulaC15H16Cl2N4O
Molecular Weight339.23 g/mol
Exact Mass338.07
IUPAC NameN-(2,6-dichlorophenyl)-2-(diethylamino)pyrimidine-4-carboxamide
SMILESCCN(CC)c1nccc(C(=O)Nc2c(Cl)cccc2Cl)n1
InChIInChI=1S/C15H16Cl2N4O/c1-3-21(4-2)15-18-9-8-12(19-15)14(22)20-13-10(16)6-5-7-11(13)17/h5-9H,3-4H2,1-2H3,(H,20,22)
InChIKeyNPISQEBMDXMDPF-UHFFFAOYSA-N
XLogP3.88
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.23
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(diethylamino)-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109310729
2-(diethylamino)-N-(3-methoxyphenyl)pyrimidine-4-carboxamide
CID 109310751
N-[(4-chlorophenyl)methyl]-2-(diethylamino)pyrimidine-4-carboxamide
CID 109306052
2-(dipropylamino)-N-(2-ethyl-6-methylphenyl)pyrimidine-4-carboxamide
CID 109312892
2-[benzyl(ethyl)amino]-N-(4-chlorophenyl)pyrimidine-4-carboxamide
CID 109306739
2-(dipropylamino)-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109312897
2-(diethylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidine-4-carboxamide
CID 109310790
2-[benzyl(ethyl)amino]-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109306729
N-(3-acetamidophenyl)-2-(N-ethylanilino)pyrimidine-4-carboxamide
CID 109315823
2-[benzyl(ethyl)amino]-N-(3,4-difluorophenyl)pyrimidine-4-carboxamide
CID 109306779
2-(N-ethyl-3-methylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109313600
2-(dipropylamino)-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109312894

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)-2-(diethylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-(2,6-dichlorophenyl)-2-(diethylamino)pyrimidine-4-carboxamide (CID 109310804) is N-(2,6-dichlorophenyl)-2-(diethylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2,6-dichlorophenyl)-2-(diethylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(2,6-dichlorophenyl)-2-(diethylamino)pyrimidine-4-carboxamide is CCN(CC)c1nccc(C(=O)Nc2c(Cl)cccc2Cl)n1.
What is the InChIKey of N-(2,6-dichlorophenyl)-2-(diethylamino)pyrimidine-4-carboxamide?
The InChIKey is NPISQEBMDXMDPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N4O/c1-3-21(4-2)15-18-9-8-12(19-15)14(22)20-13-10(16)6-5-7-11(13)17/h5-9H,3-4H2,1-2H3,(H,20,22).
What are the key properties of N-(2,6-dichlorophenyl)-2-(diethylamino)pyrimidine-4-carboxamide?
N-(2,6-dichlorophenyl)-2-(diethylamino)pyrimidine-4-carboxamide has a molecular weight of 339.23 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichlorophenyl)-2-(diethylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109310804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).